SCHEMBL2838989

SCHEMBL2838989

Cc1cc2c(s1)CN(C)CCC2Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.37
PROKR1 Q8TCW9 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CCR3 P51677 4/20 0.36
HRH1 P35367 4/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRNA3 P32297 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2842454 0.99 FPR2 (0.36) FPR2PROKR1KDM4ECCR3HRH1
Hydrochloric Acid SCHEMBL3585429 0.89 KDM4E (0.38) FPR2PROKR1KDM4ECCR3HRH1
Hydrochloric Acid SCHEMBL2844509 0.87 SLC6A4 (0.36) FPR2PROKR1KDM4ECCR3HRH1
SCHEMBL2835662 0.84 CHRNA3 (0.32) CHRNA3ALDH1A1SIGMAR1
SCHEMBL2840864 0.84 KMT2A (0.40) FPR2PROKR1KDM4ECHRNA3ALDH1A1
Hydrochloric Acid SCHEMBL2845465 0.83 SLC6A2 (0.40) FPR2PROKR1KDM4ESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2842024 0.83 SIGMAR1 (0.32) CHRNA3ALDH1A1SIGMAR1
SCHEMBL2838984 0.81 KDM4E (0.37) FPR2PROKR1KDM4ECCR3HRH1
SCHEMBL2840963 0.80 SIGMAR1 (0.35) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL3579033 0.80 MCHR1 (0.39) FPR2PROKR1KDM4ESLC6A4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 FPR2 131/4885PROKR1 1844/4885KDM4E 3292/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.